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	hartrees
Energy at 0K	-2672.923952
Energy at 298.15K	-2672.927971
HF Energy	-2672.923952
Nuclear repulsion energy	145.182253

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3288	2968	29.41
2	A'	1913	1727	372.87
3	A'	1478	1334	99.13
4	A'	711	642	177.06
5	A'	407	367	3.46
6	A"	1042	940	2.30

Atom	x (Å)	y (Å)
C1	0.374	-1.183
O2	-0.461	-2.025
H3	1.439	-1.339
Br4	0.000	0.704

	C1	O2	H3	Br4
C1		1.1855	1.0758	1.9242
O2	1.1855		2.0198	2.7674
H3	1.0758	2.0198		2.4984
Br4	1.9242	2.7674	2.4984

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	H3	126.498		O2	C1	Br4	123.992
H3	C1	Br4	109.510

All results from a given calculation for COHBr (Formyl bromide)

using model chemistry: HF/3-21G*

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	C	0.308
2	O	-0.470
3	H	0.260
4	Br	-0.097

	x	y	z	Total
	2.122	0.440	0.000	2.167
CHELPG
AIM
ESP

	x	y	z
x	3.175	-0.001	0.000
y	-0.001	5.764	0.000
z	0.000	0.000	2.064

<r²>	0.000
(<r²>)^1/2	0.000